3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine

C15H24BrNO — CID 65015028

IUPAC3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine
SMILESCCOCCN(CC)CC(CBr)c1ccccc1
InChIInChI=1S/C15H24BrNO/c1-3-17(10-11-18-4-2)13-15(12-16)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyUYNYXAULOYOIFE-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.52
Rot. Bonds9

About 3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine

3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine (PubChem CID 65015028) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine
PubChem CID65015028
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine
SMILESCCOCCN(CC)CC(CBr)c1ccccc1
InChIInChI=1S/C15H24BrNO/c1-3-17(10-11-18-4-2)13-15(12-16)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyUYNYXAULOYOIFE-UHFFFAOYSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine
CID 81062061
N-(2-ethoxyethyl)-N-methyl-2-phenylbutan-1-amine
CID 71031505
1-[(3-bromo-2-phenylpropyl)-ethylamino]-2-methylpropan-2-ol
CID 79389825
N-(3-bromo-2-phenylpropyl)-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870804
N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine
CID 82942072
3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine
CID 65015149
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190648
1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine
CID 82960381
1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63695788
N-ethyl-2-phenyl-N-propylpropan-1-amine
CID 143014369
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol
CID 111108552

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine?
The IUPAC name of 3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine (CID 65015028) is 3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine is CCOCCN(CC)CC(CBr)c1ccccc1.
What is the InChIKey of 3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine?
The InChIKey is UYNYXAULOYOIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-3-17(10-11-18-4-2)13-15(12-16)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3.
What are the key properties of 3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine?
3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine is sourced from PubChem (CID 65015028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).